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首页> 外文期刊>Chemistry: A European journal >Ligand and Metal Effects on the Stability and Adsorption Properties of an Isoreticular Series of MOFs Based on T-Shaped Ligands and Paddle-Wheel Secondary Building Units
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Ligand and Metal Effects on the Stability and Adsorption Properties of an Isoreticular Series of MOFs Based on T-Shaped Ligands and Paddle-Wheel Secondary Building Units

机译：配体和金属对基于T形配体和桨轮二次构建单元的等规相角MOF稳定性和吸附性能的影响

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摘要

The synthesis of stable porous materials with appropriate pore size and shape for desired applications remains challenging. In this work a combined experimental/computational approach has been undertaken to tune the stability under various conditions and the adsorption behavior of a series of MOFs by subtle control of both the nature of the metal center (Co2+, Cu2+, and Zn2+) and the pore surface by the functionalization of the organic linkers with amido and N-oxide groups. In this context, six isoreticular MOFs based on T-shaped ligands and paddle-wheel units with ScD0.33 topology have been synthesized. Their stabilities have been systematically investigated along with their ability to adsorb a wide range of gases (N-2, CO2, CH4, CO, H-2, light hydrocarbons (C-1-C-4)) and vapors (alcohols and water). This study has revealed that the MOF frameworks based on Cu2+ are more stable than their Co2+ and Zn2+ analogues, and that the N-oxide ligand endows the MOFs with a higher affinity for CO2 leading to excellent selectivity for this gas over other species.
机译：具有合适的孔径和形状以用于所需应用的稳定的多孔材料的合成仍然具有挑战性。在这项工作中，通过微妙地控制金属中心（Co2 +，Cu2 +和Zn2 +）的性质和孔隙，采取了组合的实验/计算方法来调节各种条件下的稳定性以及一系列MOF的吸附行为。通过具有酰胺基和N-氧化物基团的有机连接基的官能化作用来形成表面。在这种情况下，已经合成了六个基于T形配体和具有ScD0.33拓扑的叶轮单元的等规MOF。已对它们的稳定性及其吸附各种气体（N-2，CO2，CH4，CO，H-2，轻烃（C-1-C-4））和蒸汽（醇和水）的能力进行了系统地研究。 ）。这项研究表明，基于Cu2 +的MOF框架比其Co2 +和Zn2 +类似物更稳定，并且N-氧化物配体赋予MOF对CO2更高的亲和力，从而导致该气体相对于其他物种具有出色的选择性。

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